N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide

C16H14N2O6S — CID 110676977

IUPACN-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C16H14N2O6S/c1-9-3-6-14(23-2)13(7-9)18-25(21,22)10-4-5-12-11(8-10)15(19)24-16(20)17-12/h3-8,18H,1-2H3,(H,17,20)
InChIKeyAUNQVRVHWQEFIK-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.60
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide

N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide (PubChem CID 110676977) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
PubChem CID110676977
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC NameN-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C16H14N2O6S/c1-9-3-6-14(23-2)13(7-9)18-25(21,22)10-4-5-12-11(8-10)15(19)24-16(20)17-12/h3-8,18H,1-2H3,(H,17,20)
InChIKeyAUNQVRVHWQEFIK-UHFFFAOYSA-N
XLogP1.60
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110362086
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-(2-methoxy-5-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372372
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
3-chloro-N-(2-methoxy-5-methylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8513789
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide (CID 110676977) is N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc(=O)c2c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide?
The InChIKey is AUNQVRVHWQEFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S/c1-9-3-6-14(23-2)13(7-9)18-25(21,22)10-4-5-12-11(8-10)15(19)24-16(20)17-12/h3-8,18H,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide?
N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide has a molecular weight of 362.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110676977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).